CID 116987083

Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

CC(C)(C1=NC=CS1)C(=O)OC

InChI

InChI=1S/C8H11NO2S/c1-8(2,7(10)11-3)6-9-4-5-12-6/h4-5H,1-3H3

InChIKey

YIILUFDXAKNGKX-UHFFFAOYSA-N

Compound name

methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 185.05106 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.05834	141.4
[M+Na]+	208.04028	151.1
[M+NH4]+	203.08488	149.1
[M+K]+	224.01422	146.5
[M-H]-	184.04378	141.1
[M+Na-2H]-	206.02573	145.4
[M]+	185.05051	143.0
[M]-	185.05161	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe